SCHEMBL3279546

SCHEMBL3279546

O=[N+]([O-])c1ccc(-n2nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[n+]2[O-])c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
MITF O75030 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR35 Q9HC97 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 2/20 0.39
TXNRD3 Q86VQ6 2/20 0.39
TXNRD2 Q9NNW7 2/20 0.39
CA12 O43570 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3282839 0.85 MEN1 (0.41) GAAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL3279945 0.85 GAA (0.47) GAAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL3279173 0.84 ALDH1A1 (0.47) GAAALDH1A1HTTSMN1; SMN2MITF
SCHEMBL3279057 0.84 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2MAPTMITF
SCHEMBL3279977 0.83 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2MAPTMITF
SCHEMBL3278070 0.83 MEN1 (0.41) ALDH1A1HTTSMN1; SMN2MAPTMITF
SCHEMBL3283459 0.83 HSP90AA1 (0.44) ALDH1A1HTTSMN1; SMN2MAPTMITF
SCHEMBL3280398 0.82 TDP1 (0.46) GAAALDH1A1HTTMAPTMITF
SCHEMBL7896771 0.81 ALDH1A1 (0.36) ALDH1A1HTTSMN1; SMN2MAPTMITF
SCHEMBL3279245 0.81 MEN1 (0.44) ALDH1A1SMN1; SMN2MAPTTDP1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
US-20070129520-A1 High yield of 2-formylethyldimethylsilanol-modified polydimethylsiloxane obtained by the continuous process of oxidizing 3-hydroxypropyldimethylsilanol-modified corresponding polymer using Tempoas an oxidation catalyst and air or oxygen as oxidizer in an aqueous dispersion; industrial scale; low cost WACKER CHEMIE AG (DE) 2007-06-07 US disclosed
US-20060217281-A1 Oxidation system containing a macrocyclic metal complex, the production thereof and its use LANXESS B.V. (NL) 2006-09-28 US disclosed
US-6297403-B1 OXIDATION OF A (DI)ARYL METHANE OR METHYLENE DERIVATIVE IN PRESENCE OF AN AMINE OXIDE OR HYDROXYAMINE DERIVATIVE MEDIATOR; BY-PRODUCT INHIBITION Consortium für elektrochemische Industrie GmbH (DE) 2001-10-02 US disclosed
US-6187170-B1 SYSTEM FOR THE ELECTROCHEMICAL CLEAVAGE OF COMPOUNDS WHICH INCLUDES A MEDIATOR AND AT LEAST TWO ELECTRODES FOR THE ELECTROCHEMICAL ACTIVATION OF THE MEDIATOR Consortium für elektrochemische Industrie GmbH (DE) 2001-02-13 US disclosed
US-6169213-B1 REACTING A HETEROARYL METHANOL WITH AN OXIDANT AND A MEDIATOR CONTAINING AMINO OXIDE GROUP TO FORM HETEROARYL ALDEHYDE OR A HETEROARYL KETONE Consortium f{umlaut over (u)}r elektrochemische Industrie GmbH (DE) 2001-01-02 US disclosed
US-6069282-A REACTION OF VINYL-, ALKYNYL- OR ARYL-METHANOLS WITH THE AID OF A MEDIATOR AND AN OXIDANT, WHEREIN THE MEDIATOR IS SELECTED FROM THE GROUP OF THE ALIPHATIC, CYCLOALIPHATIC, HETEROCYCLIC OR AROMATIC NO OR NOH CONTAINING COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-05-30 US disclosed
US-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 US disclosed